1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene

C30H56 — CID 157138301

IUPAC1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene
SMILESCC(C)(C)C.CC(C)(C)C1(C)CC1(C)C.CC1(C)CC1(C)C.Cc1ccccc1C
InChIInChI=1S/C10H20.C8H10.C7H14.C5H12/c1-8(2,3)10(6)7-9(10,4)5;1-7-5-3-4-6-8(7)2;1-6(2)5-7(6,3)4;1-5(2,3)4/h7H2,1-6H3;3-6H,1-2H3;5H2,1-4H3;1-4H3
InChIKeyAJWSDLFIJNSOEY-UHFFFAOYSA-N
MW416.78 g/mol
LogP10.27
Rot. Bonds

About 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene

1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene (PubChem CID 157138301) has the molecular formula C30H56 and a molecular weight of 416.78 g/mol. Its IUPAC name is 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene.

Molecular Properties

Compound Name1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene
PubChem CID157138301
Molecular FormulaC30H56
Molecular Weight416.78 g/mol
Exact Mass416.44
IUPAC Name1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene
SMILESCC(C)(C)C.CC(C)(C)C1(C)CC1(C)C.CC1(C)CC1(C)C.Cc1ccccc1C
InChIInChI=1S/C10H20.C8H10.C7H14.C5H12/c1-8(2,3)10(6)7-9(10,4)5;1-7-5-3-4-6-8(7)2;1-6(2)5-7(6,3)4;1-5(2,3)4/h7H2,1-6H3;3-6H,1-2H3;5H2,1-4H3;1-4H3
InChIKeyAJWSDLFIJNSOEY-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.78
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene?
The IUPAC name of 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene (CID 157138301) is 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene.
What is the SMILES notation for 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene?
The canonical SMILES for 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene is CC(C)(C)C.CC(C)(C)C1(C)CC1(C)C.CC1(C)CC1(C)C.Cc1ccccc1C.
What is the InChIKey of 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene?
The InChIKey is AJWSDLFIJNSOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C8H10.C7H14.C5H12/c1-8(2,3)10(6)7-9(10,4)5;1-7-5-3-4-6-8(7)2;1-6(2)5-7(6,3)4;1-5(2,3)4/h7H2,1-6H3;3-6H,1-2H3;5H2,1-4H3;1-4H3.
What are the key properties of 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene?
1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene has a molecular weight of 416.78 g/mol, XLogP of 10.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,2,2-trimethylcyclopropane;2,2-dimethylpropane;1,1,2,2-tetramethylcyclopropane;1,2-xylene is sourced from PubChem (CID 157138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).